Information card for entry 4344930

Structure parameters

• Formula: C64 H96 N4 O9 U
• Calculated formula: C64 H96 N4 O9 U
• SMILES: C1c2c(c(cc(c2)C)C)O[U]234567Oc8c(C[N]96CC[N]12CC[N]7(CC[N]3(CC9)Cc1c(c(cc(c1)C)C)O4)Cc1c(O5)c(cc(c1)C)C)cc(cc8C)C.C1CCCO1.C1OCCC1.C1CCCO1.C1CCCO1.C1CCCO1
• Title of publication: Uranium Tetrakis-Aryloxide Derivatives Supported by Tetraazacyclododecane: Synthesis of Air-Stable, Coordinatively-Unsaturated U(IV) and U(V) Complexes.
• Authors of publication: Hümmer, Julian; Heinemann, Frank W.; Meyer, Karsten
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3201 - 3206
• a: 33.123 ± 0.004 Å
• b: 12.1958 ± 0.0014 Å
• c: 17.838 ± 0.002 Å
• α: 90°
• β: 119.454 ± 0.0016°
• γ: 90°
• Cell volume: 6274.5 ± 1.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No